NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652273 |
7k7a   |
30799 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7k7a
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 495
_Distance_constraint_stats_list.Viol_count 1847
_Distance_constraint_stats_list.Viol_total 2808.685
_Distance_constraint_stats_list.Viol_max 0.881
_Distance_constraint_stats_list.Viol_rms 0.0683
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0252
_Distance_constraint_stats_list.Viol_average_violations_only 0.1014
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 4.618 0.656 8 1 "[ . + 1 .]"
1 4 VAL 3.632 0.656 8 1 "[ . + 1 .]"
1 5 LEU 3.158 0.489 13 0 "[ . 1 .]"
1 6 LEU 4.091 0.297 5 0 "[ . 1 .]"
1 7 PRO 3.342 0.400 12 0 "[ . 1 .]"
1 8 LEU 3.396 0.153 15 0 "[ . 1 .]"
1 9 VAL 6.205 0.179 11 0 "[ . 1 .]"
1 10 ILE 9.216 0.837 15 2 "[ . 1 - +]"
1 11 PHE 5.160 0.278 10 0 "[ . 1 .]"
1 12 PHE 2.727 0.170 13 0 "[ . 1 .]"
1 13 GLY 6.783 0.296 11 0 "[ . 1 .]"
1 14 LEU 5.979 0.296 11 0 "[ . 1 .]"
1 15 ALA 1.908 0.118 6 0 "[ . 1 .]"
1 16 LEU 4.392 0.497 5 0 "[ . 1 .]"
1 17 LEU 3.173 0.167 3 0 "[ . 1 .]"
1 18 SER 0.856 0.060 12 0 "[ . 1 .]"
1 19 LEU 1.916 0.383 4 0 "[ . 1 .]"
1 20 LEU 2.708 0.180 6 0 "[ . 1 .]"
1 21 PHE 5.410 0.417 9 0 "[ . 1 .]"
1 22 ILE 9.343 0.810 9 2 "[ . +1 -.]"
1 23 GLY 3.154 0.225 4 0 "[ . 1 .]"
1 24 LEU 5.632 0.325 12 0 "[ . 1 .]"
1 25 ALA 9.316 0.527 14 1 "[ . 1 +.]"
1 26 TYR 1.493 0.078 6 0 "[ . 1 .]"
1 27 ARG 2.933 0.310 10 0 "[ . 1 .]"
1 28 TYR 2.087 0.881 14 1 "[ . 1 +.]"
1 29 GLN 2.161 0.234 3 0 "[ . 1 .]"
1 30 ARG 1.390 0.234 3 0 "[ . 1 .]"
2 3 THR 4.147 0.341 12 0 "[ . 1 .]"
2 4 VAL 3.284 0.341 12 0 "[ . 1 .]"
2 5 LEU 1.363 0.143 10 0 "[ . 1 .]"
2 6 LEU 4.364 0.232 3 0 "[ . 1 .]"
2 7 PRO 3.354 0.364 13 0 "[ . 1 .]"
2 8 LEU 3.089 0.147 11 0 "[ . 1 .]"
2 9 VAL 5.527 0.181 13 0 "[ . 1 .]"
2 10 ILE 9.592 0.834 7 2 "[ . + 1 - .]"
2 11 PHE 4.167 0.165 13 0 "[ . 1 .]"
2 12 PHE 2.914 0.193 6 0 "[ . 1 .]"
2 13 GLY 7.612 0.315 4 0 "[ . 1 .]"
2 14 LEU 6.472 0.315 4 0 "[ . 1 .]"
2 15 ALA 2.138 0.126 13 0 "[ . 1 .]"
2 16 LEU 5.179 0.507 14 1 "[ . 1 +.]"
2 17 LEU 3.348 0.202 2 0 "[ . 1 .]"
2 18 SER 0.739 0.052 9 0 "[ . 1 .]"
2 19 LEU 2.316 0.384 5 0 "[ . 1 .]"
2 20 LEU 2.758 0.176 8 0 "[ . 1 .]"
2 21 PHE 5.361 0.202 2 0 "[ . 1 .]"
2 22 ILE 7.008 0.358 15 0 "[ . 1 .]"
2 23 GLY 3.369 0.232 2 0 "[ . 1 .]"
2 24 LEU 5.523 0.335 8 0 "[ . 1 .]"
2 25 ALA 7.751 0.358 15 0 "[ . 1 .]"
2 26 TYR 1.533 0.092 14 0 "[ . 1 .]"
2 27 ARG 3.602 0.281 4 0 "[ . 1 .]"
2 28 TYR 1.168 0.281 4 0 "[ . 1 .]"
2 29 GLN 2.090 0.230 2 0 "[ . 1 .]"
2 30 ARG 1.278 0.230 2 0 "[ . 1 .]"
3 3 THR 4.418 0.436 7 0 "[ . 1 .]"
3 4 VAL 3.392 0.436 7 0 "[ . 1 .]"
3 5 LEU 2.772 0.521 1 1 "[+ . 1 .]"
3 6 LEU 3.832 0.317 12 0 "[ . 1 .]"
3 7 PRO 3.171 0.290 11 0 "[ . 1 .]"
3 8 LEU 2.587 0.154 2 0 "[ . 1 .]"
3 9 VAL 5.130 0.164 10 0 "[ . 1 .]"
3 10 ILE 7.389 0.290 11 0 "[ . 1 .]"
3 11 PHE 4.378 0.281 11 0 "[ . 1 .]"
3 12 PHE 3.071 0.168 12 0 "[ . 1 .]"
3 13 GLY 6.788 0.314 6 0 "[ . 1 .]"
3 14 LEU 5.733 0.314 6 0 "[ . 1 .]"
3 15 ALA 1.979 0.122 1 0 "[ . 1 .]"
3 16 LEU 4.691 0.509 15 1 "[ . 1 +]"
3 17 LEU 2.800 0.152 11 0 "[ . 1 .]"
3 18 SER 0.811 0.057 3 0 "[ . 1 .]"
3 19 LEU 2.454 0.384 6 0 "[ . 1 .]"
3 20 LEU 2.685 0.176 3 0 "[ . 1 .]"
3 21 PHE 5.441 0.419 5 0 "[ . 1 .]"
3 22 ILE 10.071 0.815 5 2 "[- + 1 .]"
3 23 GLY 3.280 0.225 14 0 "[ . 1 .]"
3 24 LEU 5.722 0.332 8 0 "[ . 1 .]"
3 25 ALA 10.089 0.504 1 1 "[+ . 1 .]"
3 26 TYR 1.574 0.068 4 0 "[ . 1 .]"
3 27 ARG 2.461 0.281 8 0 "[ . 1 .]"
3 28 TYR 0.553 0.175 4 0 "[ . 1 .]"
3 29 GLN 2.369 0.216 2 0 "[ . 1 .]"
3 30 ARG 1.704 0.216 2 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR HA 1 4 VAL H 2.000 . 2.500 2.730 2.525 3.156 0.656 8 1 "[ . + 1 .]" 1
2 1 3 THR HA 1 6 LEU H 3.000 2.500 3.500 3.533 3.213 3.797 0.297 5 0 "[ . 1 .]" 1
3 1 4 VAL H 1 4 VAL HA 3.000 2.500 3.500 2.859 2.808 2.871 . 0 0 "[ . 1 .]" 1
4 1 4 VAL HA 1 5 LEU H 3.000 2.500 3.500 3.505 3.458 3.534 0.034 11 0 "[ . 1 .]" 1
5 1 5 LEU H 1 5 LEU HA 2.800 2.300 3.300 2.835 2.802 2.854 . 0 0 "[ . 1 .]" 1
6 1 5 LEU H 1 5 LEU HB2 2.500 . 3.000 2.268 2.118 2.445 . 0 0 "[ . 1 .]" 1
7 1 5 LEU H 1 5 LEU HB3 2.500 . 3.000 2.955 2.604 3.489 0.489 13 0 "[ . 1 .]" 1
8 1 5 LEU H 1 6 LEU H 2.500 2.500 3.000 2.652 2.568 2.765 . 0 0 "[ . 1 .]" 1
9 1 5 LEU HA 1 9 VAL MG1 3.500 2.500 4.500 4.597 4.540 4.679 0.179 11 0 "[ . 1 .]" 1
10 1 5 LEU QD 1 8 LEU H 4.000 3.000 5.000 4.311 3.771 4.847 . 0 0 "[ . 1 .]" 1
11 1 6 LEU H 1 6 LEU HA 2.500 . 3.000 2.760 2.722 2.779 . 0 0 "[ . 1 .]" 1
12 1 6 LEU H 1 6 LEU HB2 2.500 . 3.000 2.155 2.090 2.317 . 0 0 "[ . 1 .]" 1
13 1 6 LEU H 1 6 LEU HB3 2.500 . 3.000 3.073 2.868 3.180 0.180 5 0 "[ . 1 .]" 1
14 1 6 LEU H 1 7 PRO QD 2.500 . 3.000 2.392 2.308 2.500 . 0 0 "[ . 1 .]" 1
15 1 6 LEU HA 1 9 VAL MG1 3.500 2.500 4.500 2.390 2.336 2.439 0.164 15 0 "[ . 1 .]" 1
16 1 7 PRO HA 1 10 ILE H 2.800 2.300 3.300 3.523 3.452 3.700 0.400 12 0 "[ . 1 .]" 1
17 1 8 LEU H 1 8 LEU HA 2.500 . 3.000 2.812 2.782 2.845 . 0 0 "[ . 1 .]" 1
18 1 8 LEU H 1 8 LEU HB2 2.500 . 3.000 2.235 2.139 2.279 . 0 0 "[ . 1 .]" 1
19 1 8 LEU H 1 8 LEU HB3 2.500 . 3.000 2.844 2.769 2.982 . 0 0 "[ . 1 .]" 1
20 1 8 LEU H 1 8 LEU MD2 3.500 2.500 4.500 4.158 3.476 4.332 . 0 0 "[ . 1 .]" 1
21 1 8 LEU H 1 8 LEU HG 4.000 3.500 4.500 4.389 4.140 4.546 0.046 10 0 "[ . 1 .]" 1
22 1 8 LEU H 1 9 VAL H 2.500 . 3.000 2.783 2.691 2.872 . 0 0 "[ . 1 .]" 1
23 1 8 LEU HA 1 11 PHE H 3.000 2.500 3.500 3.609 3.561 3.653 0.153 15 0 "[ . 1 .]" 1
24 1 8 LEU HB2 1 9 VAL H 3.000 2.500 3.500 3.583 3.474 3.635 0.135 7 0 "[ . 1 .]" 1
25 1 8 LEU HB3 1 9 VAL H 3.000 2.500 3.500 2.498 2.462 2.576 0.038 2 0 "[ . 1 .]" 1
26 1 8 LEU MD1 1 12 PHE QD 4.000 3.000 5.000 4.370 2.942 5.033 0.058 3 0 "[ . 1 .]" 1
27 1 8 LEU MD2 1 9 VAL H 4.000 3.000 5.000 4.022 3.409 4.706 . 0 0 "[ . 1 .]" 1
28 1 9 VAL H 1 9 VAL HA 2.500 . 3.000 2.833 2.813 2.844 . 0 0 "[ . 1 .]" 1
29 1 9 VAL H 1 9 VAL HB 2.000 . 2.500 2.604 2.541 2.631 0.131 13 0 "[ . 1 .]" 1
30 1 9 VAL H 1 10 ILE H 2.500 . 3.000 2.687 2.622 2.787 . 0 0 "[ . 1 .]" 1
31 1 9 VAL HA 1 12 PHE H 3.200 2.700 3.700 3.327 3.166 3.514 . 0 0 "[ . 1 .]" 1
32 1 9 VAL MG2 1 10 ILE H 4.000 3.000 5.000 3.665 3.630 3.750 . 0 0 "[ . 1 .]" 1
33 1 9 VAL MG2 1 13 GLY H 3.500 2.500 4.500 4.159 3.794 4.501 0.001 6 0 "[ . 1 .]" 1
34 1 10 ILE H 1 10 ILE HA 2.500 . 3.000 2.851 2.830 2.880 . 0 0 "[ . 1 .]" 1
35 1 10 ILE H 1 10 ILE HB 2.200 . 2.700 2.743 2.562 3.537 0.837 15 2 "[ . 1 - +]" 1
36 1 10 ILE H 1 11 PHE H 2.500 2.500 3.000 2.621 2.528 2.707 . 0 0 "[ . 1 .]" 1
37 1 10 ILE HA 1 11 PHE H 3.500 3.000 4.000 3.556 3.533 3.575 . 0 0 "[ . 1 .]" 1
38 1 10 ILE HA 1 13 GLY H 3.000 2.500 3.500 3.596 3.535 3.671 0.171 11 0 "[ . 1 .]" 1
39 1 10 ILE HA 2 14 LEU MD1 3.500 2.500 4.500 2.583 2.424 3.160 0.076 4 0 "[ . 1 .]" 1
40 1 10 ILE HB 1 11 PHE H 3.000 2.500 3.500 2.709 2.486 3.655 0.155 12 0 "[ . 1 .]" 1
41 1 10 ILE MG 1 11 PHE H 3.500 3.000 4.000 3.627 3.504 4.012 0.012 15 0 "[ . 1 .]" 1
42 1 10 ILE MG 2 11 PHE H 3.000 . 4.000 4.087 4.035 4.148 0.148 6 0 "[ . 1 .]" 1
43 1 10 ILE MG 2 11 PHE QD 2.500 . 3.500 3.310 2.067 3.659 0.159 5 0 "[ . 1 .]" 1
44 1 11 PHE H 1 11 PHE HA 2.500 . 3.000 2.839 2.817 2.856 . 0 0 "[ . 1 .]" 1
45 1 11 PHE H 1 11 PHE QB 2.500 . 3.000 2.332 2.220 2.744 . 0 0 "[ . 1 .]" 1
46 1 11 PHE H 1 12 PHE H 2.500 . 3.000 2.606 2.546 2.717 . 0 0 "[ . 1 .]" 1
47 1 11 PHE H 3 10 ILE MG 3.000 . 4.000 4.130 4.021 4.278 0.278 10 0 "[ . 1 .]" 1
48 1 11 PHE HA 1 12 PHE H 3.000 2.500 3.500 3.536 3.526 3.552 0.052 4 0 "[ . 1 .]" 1
49 1 11 PHE HA 1 14 LEU H 3.000 2.500 3.500 3.339 3.181 3.573 0.073 4 0 "[ . 1 .]" 1
50 1 11 PHE HA 1 14 LEU MD1 3.000 . 4.000 3.780 2.996 4.101 0.101 4 0 "[ . 1 .]" 1
51 1 11 PHE QD 3 10 ILE MG 2.500 . 3.500 3.249 2.027 3.597 0.097 15 0 "[ . 1 .]" 1
52 1 12 PHE H 1 12 PHE HA 2.500 . 3.000 2.803 2.791 2.829 . 0 0 "[ . 1 .]" 1
53 1 12 PHE H 1 12 PHE QB 2.200 . 2.700 2.155 2.056 2.201 . 0 0 "[ . 1 .]" 1
54 1 12 PHE HA 1 13 GLY H 3.300 2.800 3.800 3.556 3.537 3.566 . 0 0 "[ . 1 .]" 1
55 1 12 PHE HA 1 15 ALA H 3.000 2.500 3.500 3.525 3.405 3.571 0.071 14 0 "[ . 1 .]" 1
56 1 12 PHE HA 1 15 ALA MB 3.000 2.500 3.500 3.030 2.860 3.241 . 0 0 "[ . 1 .]" 1
57 1 12 PHE HB2 1 13 GLY H 3.000 2.500 3.500 3.551 3.136 3.670 0.170 13 0 "[ . 1 .]" 1
58 1 12 PHE HB3 1 13 GLY H 3.000 2.500 3.500 2.610 2.471 3.178 0.029 8 0 "[ . 1 .]" 1
59 1 12 PHE QD 1 16 LEU MD1 3.000 . 4.000 3.633 2.824 4.065 0.065 11 0 "[ . 1 .]" 1
60 1 13 GLY H 1 13 GLY QA 2.500 . 3.000 2.215 2.207 2.222 . 0 0 "[ . 1 .]" 1
61 1 13 GLY H 1 14 LEU H 2.500 . 3.000 2.573 2.497 2.662 . 0 0 "[ . 1 .]" 1
62 1 13 GLY H 1 14 LEU QD 4.000 3.000 5.000 5.221 5.158 5.296 0.296 11 0 "[ . 1 .]" 1
63 1 13 GLY H 1 15 ALA H 4.000 3.500 4.500 4.206 4.109 4.328 . 0 0 "[ . 1 .]" 1
64 1 13 GLY H 2 14 LEU MD1 2.500 . 3.500 3.146 2.668 3.555 0.055 15 0 "[ . 1 .]" 1
65 1 13 GLY QA 1 14 LEU H 3.000 2.500 3.500 2.766 2.753 2.783 . 0 0 "[ . 1 .]" 1
66 1 13 GLY QA 1 16 LEU H 3.000 2.500 3.500 3.379 3.187 3.573 0.073 11 0 "[ . 1 .]" 1
67 1 13 GLY QA 1 16 LEU MD1 2.700 . 3.700 3.025 2.172 3.857 0.157 10 0 "[ . 1 .]" 1
68 1 13 GLY QA 2 14 LEU MD2 3.500 2.500 4.500 2.825 2.445 3.504 0.055 8 0 "[ . 1 .]" 1
69 1 13 GLY QA 2 17 LEU MD2 3.000 . 4.000 3.310 2.888 3.916 . 0 0 "[ . 1 .]" 1
70 1 14 LEU H 1 14 LEU HA 2.500 . 3.000 2.808 2.793 2.834 . 0 0 "[ . 1 .]" 1
71 1 14 LEU H 1 14 LEU QB 2.000 . 2.500 2.114 2.033 2.157 . 0 0 "[ . 1 .]" 1
72 1 14 LEU H 1 14 LEU HG 4.500 4.000 5.000 4.375 3.981 4.452 0.019 7 0 "[ . 1 .]" 1
73 1 14 LEU H 1 16 LEU H 4.000 3.500 4.500 4.239 4.016 4.478 . 0 0 "[ . 1 .]" 1
74 1 14 LEU H 2 14 LEU MD1 2.500 . 3.500 3.166 2.812 3.521 0.021 1 0 "[ . 1 .]" 1
75 1 14 LEU HA 1 17 LEU H 3.000 2.500 3.500 3.491 3.366 3.588 0.088 9 0 "[ . 1 .]" 1
76 1 14 LEU QD 1 15 ALA H 4.500 4.000 5.000 4.030 3.971 4.153 0.029 6 0 "[ . 1 .]" 1
77 1 14 LEU MD1 3 10 ILE HA 3.500 2.500 4.500 2.588 2.398 2.962 0.102 11 0 "[ . 1 .]" 1
78 1 14 LEU MD1 3 13 GLY H 2.500 . 3.500 3.168 2.698 3.537 0.037 5 0 "[ . 1 .]" 1
79 1 14 LEU MD1 3 14 LEU H 2.500 . 3.500 3.138 2.926 3.471 . 0 0 "[ . 1 .]" 1
80 1 14 LEU MD2 1 15 ALA HA 3.500 2.500 4.500 4.474 3.936 4.618 0.118 6 0 "[ . 1 .]" 1
81 1 14 LEU MD2 1 15 ALA MB 3.800 2.800 4.800 4.798 4.736 4.862 0.062 1 0 "[ . 1 .]" 1
82 1 14 LEU MD2 3 13 GLY QA 3.500 2.500 4.500 2.783 2.428 3.517 0.072 11 0 "[ . 1 .]" 1
83 1 15 ALA H 1 15 ALA HA 2.500 . 3.000 2.816 2.811 2.826 . 0 0 "[ . 1 .]" 1
84 1 15 ALA H 1 15 ALA MB 2.500 . 3.000 2.171 2.072 2.242 . 0 0 "[ . 1 .]" 1
85 1 15 ALA H 1 16 LEU H 2.500 . 3.000 2.688 2.628 2.721 . 0 0 "[ . 1 .]" 1
86 1 15 ALA HA 1 18 SER H 3.000 2.500 3.500 3.442 3.361 3.560 0.060 12 0 "[ . 1 .]" 1
87 1 16 LEU H 1 16 LEU HA 2.500 . 3.000 2.804 2.786 2.827 . 0 0 "[ . 1 .]" 1
88 1 16 LEU H 1 16 LEU HB2 2.500 . 3.000 2.146 2.044 2.295 . 0 0 "[ . 1 .]" 1
89 1 16 LEU H 1 16 LEU HB3 2.500 . 3.000 3.218 2.828 3.497 0.497 5 0 "[ . 1 .]" 1
90 1 16 LEU HA 1 19 LEU H 3.000 2.500 3.500 3.491 3.332 3.578 0.078 9 0 "[ . 1 .]" 1
91 1 16 LEU MD2 2 21 PHE QD 3.500 2.500 4.500 2.863 2.474 3.766 0.026 10 0 "[ . 1 .]" 1
92 1 17 LEU H 1 17 LEU HA 2.500 . 3.000 2.814 2.804 2.828 . 0 0 "[ . 1 .]" 1
93 1 17 LEU H 1 17 LEU HB2 2.500 . 3.000 2.415 2.122 2.497 . 0 0 "[ . 1 .]" 1
94 1 17 LEU H 1 17 LEU HB3 2.500 . 3.000 2.658 2.564 2.946 . 0 0 "[ . 1 .]" 1
95 1 17 LEU H 1 18 SER H 2.500 . 3.000 2.704 2.664 2.736 . 0 0 "[ . 1 .]" 1
96 1 17 LEU H 2 17 LEU MD2 2.000 . 3.000 2.999 2.790 3.159 0.159 11 0 "[ . 1 .]" 1
97 1 17 LEU HA 1 18 SER H 3.000 2.500 3.500 3.541 3.522 3.550 0.050 7 0 "[ . 1 .]" 1
98 1 17 LEU HA 1 20 LEU H 3.000 2.500 3.500 3.392 3.249 3.538 0.038 14 0 "[ . 1 .]" 1
99 1 17 LEU HA 1 21 PHE H 3.500 3.000 4.000 4.059 3.863 4.167 0.167 3 0 "[ . 1 .]" 1
100 1 17 LEU MD2 3 13 GLY QA 3.000 . 4.000 3.289 2.674 4.001 0.001 7 0 "[ . 1 .]" 1
101 1 17 LEU MD2 3 17 LEU H 2.000 . 3.000 2.997 2.732 3.152 0.152 11 0 "[ . 1 .]" 1
102 1 18 SER H 1 18 SER HA 2.500 . 3.000 2.808 2.797 2.822 . 0 0 "[ . 1 .]" 1
103 1 18 SER H 1 19 LEU H 2.500 . 3.000 2.744 2.683 2.797 . 0 0 "[ . 1 .]" 1
104 1 18 SER HA 1 21 PHE H 3.000 2.500 3.500 3.477 3.364 3.557 0.057 14 0 "[ . 1 .]" 1
105 1 19 LEU H 1 19 LEU HA 2.500 . 3.000 2.831 2.818 2.853 . 0 0 "[ . 1 .]" 1
106 1 19 LEU H 1 19 LEU QB 2.500 . 3.000 2.203 2.089 2.309 . 0 0 "[ . 1 .]" 1
107 1 19 LEU H 1 19 LEU HG 3.500 3.000 4.000 3.517 2.874 4.383 0.383 4 0 "[ . 1 .]" 1
108 1 19 LEU H 1 20 LEU H 2.500 . 3.000 2.673 2.612 2.730 . 0 0 "[ . 1 .]" 1
109 1 19 LEU HA 1 22 ILE MG 3.200 2.200 4.200 3.531 2.139 4.338 0.138 3 0 "[ . 1 .]" 1
110 1 20 LEU H 1 20 LEU HA 2.500 . 3.000 2.847 2.824 2.865 . 0 0 "[ . 1 .]" 1
111 1 20 LEU H 1 20 LEU QB 2.000 . 2.500 2.209 2.074 2.382 . 0 0 "[ . 1 .]" 1
112 1 20 LEU H 1 21 PHE H 2.500 . 3.000 2.608 2.543 2.688 . 0 0 "[ . 1 .]" 1
113 1 20 LEU HA 1 21 PHE H 3.000 2.500 3.500 3.540 3.528 3.562 0.062 14 0 "[ . 1 .]" 1
114 1 20 LEU HA 1 23 GLY H 3.200 2.700 3.700 3.538 3.286 3.742 0.042 2 0 "[ . 1 .]" 1
115 1 20 LEU HA 1 24 LEU H 4.300 3.800 4.800 4.497 4.086 4.889 0.089 13 0 "[ . 1 .]" 1
116 1 20 LEU HB2 1 21 PHE H 3.500 3.000 4.000 3.020 2.820 3.885 0.180 6 0 "[ . 1 .]" 1
117 1 20 LEU HB3 1 21 PHE H 3.500 3.000 4.000 3.385 2.829 3.744 0.171 9 0 "[ . 1 .]" 1
118 1 20 LEU MD1 2 21 PHE QE 3.000 . 4.000 3.343 2.061 4.047 0.047 1 0 "[ . 1 .]" 1
119 1 20 LEU MD2 2 21 PHE H 4.000 3.000 5.000 4.791 4.044 5.053 0.053 9 0 "[ . 1 .]" 1
120 1 20 LEU MD2 2 24 LEU QB 3.000 . 4.000 3.524 2.615 4.026 0.026 12 0 "[ . 1 .]" 1
121 1 21 PHE H 1 21 PHE HA 2.500 . 3.000 2.831 2.794 2.854 . 0 0 "[ . 1 .]" 1
122 1 21 PHE H 1 21 PHE QB 2.200 . 2.700 2.236 2.201 2.256 . 0 0 "[ . 1 .]" 1
123 1 21 PHE H 1 22 ILE H 2.500 . 3.000 2.695 2.614 2.884 . 0 0 "[ . 1 .]" 1
124 1 21 PHE H 3 20 LEU MD2 4.000 3.000 5.000 4.697 3.880 5.088 0.088 1 0 "[ . 1 .]" 1
125 1 21 PHE HA 1 24 LEU H 3.000 2.500 3.500 3.525 3.363 3.685 0.185 9 0 "[ . 1 .]" 1
126 1 21 PHE QB 1 22 ILE MD 3.500 2.500 4.500 4.067 2.444 4.917 0.417 9 0 "[ . 1 .]" 1
127 1 21 PHE QD 1 24 LEU MD1 4.000 3.000 5.000 4.100 3.296 5.000 . 0 0 "[ . 1 .]" 1
128 1 21 PHE QD 3 16 LEU MD2 3.500 2.500 4.500 3.075 2.518 4.045 . 0 0 "[ . 1 .]" 1
129 1 21 PHE QE 1 25 ALA MB 4.000 3.000 5.000 4.745 3.779 5.063 0.063 9 0 "[ . 1 .]" 1
130 1 21 PHE QE 3 20 LEU MD1 3.000 . 4.000 2.975 2.031 3.822 . 0 0 "[ . 1 .]" 1
131 1 22 ILE H 1 22 ILE HA 2.500 . 3.000 2.827 2.802 2.843 . 0 0 "[ . 1 .]" 1
132 1 22 ILE H 1 22 ILE HB 2.200 . 2.700 2.489 2.211 3.510 0.810 9 1 "[ . +1 .]" 1
133 1 22 ILE H 1 23 GLY H 2.500 . 3.000 2.608 2.542 2.661 . 0 0 "[ . 1 .]" 1
134 1 22 ILE HA 1 23 GLY H 2.800 2.300 3.300 3.507 3.492 3.525 0.225 4 0 "[ . 1 .]" 1
135 1 22 ILE HA 1 25 ALA H 3.300 2.800 3.800 3.672 3.426 3.832 0.032 8 0 "[ . 1 .]" 1
136 1 22 ILE HA 1 25 ALA MB 4.000 3.500 4.500 3.359 3.024 3.465 0.476 14 0 "[ . 1 .]" 1
137 1 22 ILE MD 1 25 ALA MB 4.000 3.000 5.000 4.336 3.364 5.527 0.527 14 1 "[ . 1 +.]" 1
138 1 23 GLY H 1 23 GLY QA 2.500 . 3.000 2.207 2.200 2.219 . 0 0 "[ . 1 .]" 1
139 1 23 GLY H 1 24 LEU H 2.500 . 3.000 2.647 2.529 2.745 . 0 0 "[ . 1 .]" 1
140 1 23 GLY QA 1 24 LEU H 3.000 2.500 3.500 2.807 2.786 2.816 . 0 0 "[ . 1 .]" 1
141 1 23 GLY QA 1 26 TYR H 3.300 2.800 3.800 3.302 3.120 3.449 . 0 0 "[ . 1 .]" 1
142 1 24 LEU H 1 24 LEU HA 2.500 . 3.000 2.801 2.788 2.839 . 0 0 "[ . 1 .]" 1
143 1 24 LEU H 1 24 LEU HB2 2.500 . 3.000 2.321 2.114 2.468 . 0 0 "[ . 1 .]" 1
144 1 24 LEU H 1 24 LEU HB3 2.500 . 3.000 2.742 2.544 3.041 0.041 9 0 "[ . 1 .]" 1
145 1 24 LEU H 1 25 ALA H 2.500 . 3.000 2.712 2.589 2.763 . 0 0 "[ . 1 .]" 1
146 1 24 LEU HA 1 25 ALA H 2.700 2.200 3.200 3.513 3.486 3.525 0.325 12 0 "[ . 1 .]" 1
147 1 24 LEU HA 1 27 ARG H 3.500 3.000 4.000 3.614 3.393 4.005 0.005 14 0 "[ . 1 .]" 1
148 1 24 LEU QB 3 20 LEU MD2 3.000 . 4.000 3.500 2.594 4.019 0.019 3 0 "[ . 1 .]" 1
149 1 24 LEU MD2 1 25 ALA MB 4.000 3.000 5.000 3.962 3.533 5.061 0.061 15 0 "[ . 1 .]" 1
150 1 24 LEU MD2 1 27 ARG H 4.000 3.000 5.000 4.624 4.169 5.018 0.018 6 0 "[ . 1 .]" 1
151 1 24 LEU MD2 1 28 TYR QD 4.000 3.000 5.000 4.043 3.002 4.839 . 0 0 "[ . 1 .]" 1
152 1 25 ALA H 1 25 ALA HA 2.500 . 3.000 2.823 2.802 2.854 . 0 0 "[ . 1 .]" 1
153 1 25 ALA H 1 26 TYR H 2.500 . 3.000 2.678 2.578 2.748 . 0 0 "[ . 1 .]" 1
154 1 25 ALA H 1 27 ARG H 4.000 3.500 4.500 4.315 4.165 4.443 . 0 0 "[ . 1 .]" 1
155 1 25 ALA HA 1 26 TYR H 3.000 2.500 3.500 3.538 3.514 3.553 0.053 9 0 "[ . 1 .]" 1
156 1 25 ALA HA 1 28 TYR H 3.300 2.800 3.800 3.480 3.285 3.912 0.112 14 0 "[ . 1 .]" 1
157 1 26 TYR H 1 26 TYR HA 2.500 . 3.000 2.815 2.781 2.834 . 0 0 "[ . 1 .]" 1
158 1 26 TYR H 1 26 TYR HB3 2.200 . 2.700 2.690 2.645 2.750 0.050 12 0 "[ . 1 .]" 1
159 1 26 TYR H 1 27 ARG H 2.500 2.500 3.000 2.726 2.640 2.873 . 0 0 "[ . 1 .]" 1
160 1 26 TYR HA 1 27 ARG H 3.000 2.500 3.500 3.554 3.534 3.578 0.078 6 0 "[ . 1 .]" 1
161 1 26 TYR HA 1 29 GLN H 3.500 3.000 4.000 3.565 3.382 3.889 . 0 0 "[ . 1 .]" 1
162 1 27 ARG H 1 27 ARG HA 2.500 . 3.000 2.834 2.801 2.879 . 0 0 "[ . 1 .]" 1
163 1 27 ARG H 1 27 ARG QB 2.500 . 3.000 2.396 2.068 2.711 . 0 0 "[ . 1 .]" 1
164 1 27 ARG H 1 27 ARG QD 3.000 . 4.000 3.775 3.552 4.310 0.310 10 0 "[ . 1 .]" 1
165 1 27 ARG H 1 29 GLN H 4.000 3.500 4.500 4.007 3.770 4.262 . 0 0 "[ . 1 .]" 1
166 1 27 ARG HA 1 28 TYR H 3.000 2.500 3.500 3.512 3.405 3.597 0.097 14 0 "[ . 1 .]" 1
167 1 27 ARG HA 1 29 GLN H 3.300 2.800 3.800 3.844 3.733 4.007 0.207 14 0 "[ . 1 .]" 1
168 1 27 ARG QB 1 28 TYR H 2.700 2.200 3.200 2.932 2.607 3.436 0.236 8 0 "[ . 1 .]" 1
169 1 28 TYR H 1 28 TYR HA 2.500 . 3.000 2.910 2.896 2.921 . 0 0 "[ . 1 .]" 1
170 1 28 TYR H 1 28 TYR HB2 2.200 . 2.700 2.617 2.414 3.581 0.881 14 1 "[ . 1 +.]" 1
171 1 28 TYR H 1 28 TYR HB3 2.200 . 2.700 2.644 2.523 2.771 0.071 14 0 "[ . 1 .]" 1
172 1 28 TYR H 1 29 GLN H 2.500 . 3.000 2.515 2.373 2.647 . 0 0 "[ . 1 .]" 1
173 1 28 TYR HA 1 29 GLN H 3.000 2.500 3.500 3.343 3.252 3.454 . 0 0 "[ . 1 .]" 1
174 1 29 GLN H 1 29 GLN HA 2.500 . 3.000 2.856 2.295 2.965 . 0 0 "[ . 1 .]" 1
175 1 29 GLN H 1 30 ARG H 2.800 2.300 3.300 2.796 2.127 3.348 0.173 2 0 "[ . 1 .]" 1
176 1 29 GLN HA 1 30 ARG H 2.800 2.300 3.300 2.973 2.334 3.534 0.234 3 0 "[ . 1 .]" 1
177 1 30 ARG H 1 30 ARG HA 2.800 2.300 3.300 2.611 2.288 2.961 0.012 11 0 "[ . 1 .]" 1
178 2 3 THR HA 2 4 VAL H 2.000 . 2.500 2.708 2.606 2.841 0.341 12 0 "[ . 1 .]" 1
179 2 3 THR HA 2 6 LEU H 3.000 2.500 3.500 3.551 3.394 3.652 0.152 14 0 "[ . 1 .]" 1
180 2 4 VAL H 2 4 VAL HA 3.000 2.500 3.500 2.861 2.857 2.867 . 0 0 "[ . 1 .]" 1
181 2 4 VAL HA 2 5 LEU H 3.000 2.500 3.500 3.505 3.465 3.529 0.029 13 0 "[ . 1 .]" 1
182 2 5 LEU H 2 5 LEU HA 2.800 2.300 3.300 2.836 2.820 2.846 . 0 0 "[ . 1 .]" 1
183 2 5 LEU H 2 5 LEU HB2 2.500 . 3.000 2.359 2.244 2.462 . 0 0 "[ . 1 .]" 1
184 2 5 LEU H 2 5 LEU HB3 2.500 . 3.000 2.704 2.576 2.798 . 0 0 "[ . 1 .]" 1
185 2 5 LEU H 2 6 LEU H 2.500 2.500 3.000 2.680 2.619 2.745 . 0 0 "[ . 1 .]" 1
186 2 5 LEU HA 2 9 VAL MG1 3.500 2.500 4.500 4.580 4.516 4.643 0.143 10 0 "[ . 1 .]" 1
187 2 5 LEU QD 2 8 LEU H 4.000 3.000 5.000 4.586 4.261 4.765 . 0 0 "[ . 1 .]" 1
188 2 6 LEU H 2 6 LEU HA 2.500 . 3.000 2.766 2.744 2.783 . 0 0 "[ . 1 .]" 1
189 2 6 LEU H 2 6 LEU HB2 2.500 . 3.000 2.147 2.072 2.468 . 0 0 "[ . 1 .]" 1
190 2 6 LEU H 2 6 LEU HB3 2.500 . 3.000 3.092 2.655 3.232 0.232 3 0 "[ . 1 .]" 1
191 2 6 LEU H 2 7 PRO QD 2.500 . 3.000 2.403 2.309 2.652 . 0 0 "[ . 1 .]" 1
192 2 6 LEU HA 2 9 VAL MG1 3.500 2.500 4.500 2.397 2.319 2.461 0.181 13 0 "[ . 1 .]" 1
193 2 7 PRO HA 2 10 ILE H 2.800 2.300 3.300 3.524 3.453 3.664 0.364 13 0 "[ . 1 .]" 1
194 2 8 LEU H 2 8 LEU HA 2.500 . 3.000 2.810 2.785 2.846 . 0 0 "[ . 1 .]" 1
195 2 8 LEU H 2 8 LEU HB2 2.500 . 3.000 2.214 2.058 2.290 . 0 0 "[ . 1 .]" 1
196 2 8 LEU H 2 8 LEU HB3 2.500 . 3.000 2.883 2.782 3.147 0.147 11 0 "[ . 1 .]" 1
197 2 8 LEU H 2 8 LEU MD2 3.500 2.500 4.500 3.987 3.178 4.330 . 0 0 "[ . 1 .]" 1
198 2 8 LEU H 2 8 LEU HG 4.000 3.500 4.500 4.461 4.182 4.561 0.061 13 0 "[ . 1 .]" 1
199 2 8 LEU H 2 9 VAL H 2.500 . 3.000 2.787 2.680 2.846 . 0 0 "[ . 1 .]" 1
200 2 8 LEU HA 2 11 PHE H 3.000 2.500 3.500 3.593 3.558 3.622 0.122 13 0 "[ . 1 .]" 1
201 2 8 LEU HB2 2 9 VAL H 3.000 2.500 3.500 3.554 3.353 3.642 0.142 12 0 "[ . 1 .]" 1
202 2 8 LEU HB3 2 9 VAL H 3.000 2.500 3.500 2.525 2.455 2.768 0.045 2 0 "[ . 1 .]" 1
203 2 8 LEU MD1 2 12 PHE QD 4.000 3.000 5.000 3.966 2.960 4.970 0.040 11 0 "[ . 1 .]" 1
204 2 8 LEU MD2 2 9 VAL H 4.000 3.000 5.000 4.316 3.473 4.712 . 0 0 "[ . 1 .]" 1
205 2 9 VAL H 2 9 VAL HA 2.500 . 3.000 2.835 2.818 2.849 . 0 0 "[ . 1 .]" 1
206 2 9 VAL H 2 9 VAL HB 2.000 . 2.500 2.604 2.578 2.625 0.125 8 0 "[ . 1 .]" 1
207 2 9 VAL H 2 10 ILE H 2.500 . 3.000 2.677 2.599 2.776 . 0 0 "[ . 1 .]" 1
208 2 9 VAL HA 2 12 PHE H 3.200 2.700 3.700 3.290 3.131 3.487 . 0 0 "[ . 1 .]" 1
209 2 9 VAL MG2 2 10 ILE H 4.000 3.000 5.000 3.671 3.649 3.700 . 0 0 "[ . 1 .]" 1
210 2 9 VAL MG2 2 13 GLY H 3.500 2.500 4.500 4.204 4.028 4.509 0.009 7 0 "[ . 1 .]" 1
211 2 10 ILE H 2 10 ILE HA 2.500 . 3.000 2.853 2.833 2.866 . 0 0 "[ . 1 .]" 1
212 2 10 ILE H 2 10 ILE HB 2.200 . 2.700 2.748 2.524 3.534 0.834 7 2 "[ . + 1 - .]" 1
213 2 10 ILE H 2 11 PHE H 2.500 2.500 3.000 2.598 2.529 2.645 . 0 0 "[ . 1 .]" 1
214 2 10 ILE HA 2 11 PHE H 3.500 3.000 4.000 3.549 3.531 3.561 . 0 0 "[ . 1 .]" 1
215 2 10 ILE HA 2 13 GLY H 3.000 2.500 3.500 3.611 3.495 3.674 0.174 2 0 "[ . 1 .]" 1
216 2 10 ILE HA 3 14 LEU MD1 3.500 2.500 4.500 2.595 2.404 3.072 0.096 6 0 "[ . 1 .]" 1
217 2 10 ILE HB 2 11 PHE H 3.000 2.500 3.500 2.708 2.487 3.665 0.165 13 0 "[ . 1 .]" 1
218 2 10 ILE MG 2 11 PHE H 3.500 3.000 4.000 3.638 3.498 3.991 . 0 0 "[ . 1 .]" 1
219 2 10 ILE MG 3 11 PHE H 3.000 . 4.000 4.132 4.040 4.281 0.281 11 0 "[ . 1 .]" 1
220 2 10 ILE MG 3 11 PHE QD 2.500 . 3.500 3.250 2.024 3.592 0.092 9 0 "[ . 1 .]" 1
221 2 11 PHE H 2 11 PHE HA 2.500 . 3.000 2.841 2.823 2.861 . 0 0 "[ . 1 .]" 1
222 2 11 PHE H 2 11 PHE QB 2.500 . 3.000 2.235 2.142 2.262 . 0 0 "[ . 1 .]" 1
223 2 11 PHE H 2 12 PHE H 2.500 . 3.000 2.591 2.525 2.655 . 0 0 "[ . 1 .]" 1
224 2 11 PHE HA 2 12 PHE H 3.000 2.500 3.500 3.535 3.522 3.550 0.050 13 0 "[ . 1 .]" 1
225 2 11 PHE HA 2 14 LEU H 3.000 2.500 3.500 3.328 3.159 3.436 . 0 0 "[ . 1 .]" 1
226 2 11 PHE HA 2 14 LEU MD1 3.000 . 4.000 3.742 2.907 4.031 0.031 15 0 "[ . 1 .]" 1
227 2 12 PHE H 2 12 PHE HA 2.500 . 3.000 2.800 2.794 2.813 . 0 0 "[ . 1 .]" 1
228 2 12 PHE H 2 12 PHE QB 2.200 . 2.700 2.163 2.046 2.214 . 0 0 "[ . 1 .]" 1
229 2 12 PHE HA 2 13 GLY H 3.300 2.800 3.800 3.558 3.539 3.572 . 0 0 "[ . 1 .]" 1
230 2 12 PHE HA 2 15 ALA H 3.000 2.500 3.500 3.526 3.505 3.557 0.057 10 0 "[ . 1 .]" 1
231 2 12 PHE HA 2 15 ALA MB 3.000 2.500 3.500 3.013 2.700 3.232 . 0 0 "[ . 1 .]" 1
232 2 12 PHE HB2 2 13 GLY H 3.000 2.500 3.500 3.598 3.332 3.693 0.193 6 0 "[ . 1 .]" 1
233 2 12 PHE HB3 2 13 GLY H 3.000 2.500 3.500 2.577 2.447 3.016 0.053 12 0 "[ . 1 .]" 1
234 2 12 PHE QD 2 16 LEU MD1 3.000 . 4.000 3.498 2.694 4.049 0.049 1 0 "[ . 1 .]" 1
235 2 13 GLY H 2 13 GLY QA 2.500 . 3.000 2.217 2.204 2.230 . 0 0 "[ . 1 .]" 1
236 2 13 GLY H 2 14 LEU H 2.500 . 3.000 2.568 2.470 2.639 . 0 0 "[ . 1 .]" 1
237 2 13 GLY H 2 14 LEU QD 4.000 3.000 5.000 5.230 5.171 5.315 0.315 4 0 "[ . 1 .]" 1
238 2 13 GLY H 2 15 ALA H 4.000 3.500 4.500 4.188 3.947 4.312 . 0 0 "[ . 1 .]" 1
239 2 13 GLY H 3 14 LEU MD1 2.500 . 3.500 3.054 2.798 3.394 . 0 0 "[ . 1 .]" 1
240 2 13 GLY QA 2 14 LEU H 3.000 2.500 3.500 2.764 2.744 2.778 . 0 0 "[ . 1 .]" 1
241 2 13 GLY QA 2 16 LEU H 3.000 2.500 3.500 3.377 3.178 3.566 0.066 4 0 "[ . 1 .]" 1
242 2 13 GLY QA 2 16 LEU MD1 2.700 . 3.700 2.980 2.097 3.813 0.113 9 0 "[ . 1 .]" 1
243 2 13 GLY QA 3 14 LEU MD2 3.500 2.500 4.500 2.817 2.428 3.426 0.072 6 0 "[ . 1 .]" 1
244 2 13 GLY QA 3 17 LEU MD2 3.000 . 4.000 3.164 2.744 3.692 . 0 0 "[ . 1 .]" 1
245 2 14 LEU H 2 14 LEU HA 2.500 . 3.000 2.808 2.794 2.826 . 0 0 "[ . 1 .]" 1
246 2 14 LEU H 2 14 LEU QB 2.000 . 2.500 2.112 2.030 2.167 . 0 0 "[ . 1 .]" 1
247 2 14 LEU H 2 14 LEU HG 4.500 4.000 5.000 4.354 3.906 4.455 0.094 4 0 "[ . 1 .]" 1
248 2 14 LEU H 2 16 LEU H 4.000 3.500 4.500 4.251 4.066 4.494 . 0 0 "[ . 1 .]" 1
249 2 14 LEU H 3 14 LEU MD1 2.500 . 3.500 3.100 2.448 3.599 0.099 6 0 "[ . 1 .]" 1
250 2 14 LEU HA 2 17 LEU H 3.000 2.500 3.500 3.471 3.306 3.576 0.076 6 0 "[ . 1 .]" 1
251 2 14 LEU QD 2 15 ALA H 4.500 4.000 5.000 4.021 3.926 4.126 0.074 6 0 "[ . 1 .]" 1
252 2 14 LEU MD2 2 15 ALA HA 3.500 2.500 4.500 4.463 3.850 4.626 0.126 13 0 "[ . 1 .]" 1
253 2 14 LEU MD2 2 15 ALA MB 3.800 2.800 4.800 4.794 4.620 4.926 0.126 15 0 "[ . 1 .]" 1
254 2 15 ALA H 2 15 ALA HA 2.500 . 3.000 2.816 2.808 2.828 . 0 0 "[ . 1 .]" 1
255 2 15 ALA H 2 15 ALA MB 2.500 . 3.000 2.159 2.034 2.234 . 0 0 "[ . 1 .]" 1
256 2 15 ALA H 2 16 LEU H 2.500 . 3.000 2.687 2.614 2.721 . 0 0 "[ . 1 .]" 1
257 2 15 ALA HA 2 18 SER H 3.000 2.500 3.500 3.414 3.301 3.491 . 0 0 "[ . 1 .]" 1
258 2 16 LEU H 2 16 LEU HA 2.500 . 3.000 2.804 2.790 2.822 . 0 0 "[ . 1 .]" 1
259 2 16 LEU H 2 16 LEU HB2 2.500 . 3.000 2.143 2.051 2.362 . 0 0 "[ . 1 .]" 1
260 2 16 LEU H 2 16 LEU HB3 2.500 . 3.000 3.265 2.954 3.507 0.507 14 1 "[ . 1 +.]" 1
261 2 16 LEU HA 2 19 LEU H 3.000 2.500 3.500 3.523 3.448 3.594 0.094 4 0 "[ . 1 .]" 1
262 2 16 LEU MD2 3 21 PHE QD 3.500 2.500 4.500 2.885 2.471 4.031 0.029 10 0 "[ . 1 .]" 1
263 2 17 LEU H 2 17 LEU HA 2.500 . 3.000 2.820 2.804 2.846 . 0 0 "[ . 1 .]" 1
264 2 17 LEU H 2 17 LEU HB2 2.500 . 3.000 2.400 2.157 2.553 . 0 0 "[ . 1 .]" 1
265 2 17 LEU H 2 17 LEU HB3 2.500 . 3.000 2.668 2.545 2.902 . 0 0 "[ . 1 .]" 1
266 2 17 LEU H 2 18 SER H 2.500 . 3.000 2.686 2.612 2.741 . 0 0 "[ . 1 .]" 1
267 2 17 LEU H 3 17 LEU MD2 2.000 . 3.000 2.860 2.111 3.063 0.063 10 0 "[ . 1 .]" 1
268 2 17 LEU HA 2 18 SER H 3.000 2.500 3.500 3.538 3.513 3.552 0.052 9 0 "[ . 1 .]" 1
269 2 17 LEU HA 2 20 LEU H 3.000 2.500 3.500 3.405 3.268 3.505 0.005 9 0 "[ . 1 .]" 1
270 2 17 LEU HA 2 21 PHE H 3.500 3.000 4.000 4.101 4.005 4.202 0.202 2 0 "[ . 1 .]" 1
271 2 18 SER H 2 18 SER HA 2.500 . 3.000 2.807 2.795 2.829 . 0 0 "[ . 1 .]" 1
272 2 18 SER H 2 19 LEU H 2.500 . 3.000 2.750 2.662 2.799 . 0 0 "[ . 1 .]" 1
273 2 18 SER HA 2 21 PHE H 3.000 2.500 3.500 3.478 3.353 3.532 0.032 12 0 "[ . 1 .]" 1
274 2 19 LEU H 2 19 LEU HA 2.500 . 3.000 2.828 2.797 2.854 . 0 0 "[ . 1 .]" 1
275 2 19 LEU H 2 19 LEU QB 2.500 . 3.000 2.192 2.075 2.271 . 0 0 "[ . 1 .]" 1
276 2 19 LEU H 2 19 LEU HG 3.500 3.000 4.000 3.650 2.871 4.384 0.384 5 0 "[ . 1 .]" 1
277 2 19 LEU H 2 20 LEU H 2.500 . 3.000 2.696 2.601 2.811 . 0 0 "[ . 1 .]" 1
278 2 19 LEU HA 2 22 ILE MG 3.200 2.200 4.200 3.837 2.139 4.390 0.190 1 0 "[ . 1 .]" 1
279 2 20 LEU H 2 20 LEU HA 2.500 . 3.000 2.838 2.821 2.867 . 0 0 "[ . 1 .]" 1
280 2 20 LEU H 2 20 LEU QB 2.000 . 2.500 2.211 2.084 2.357 . 0 0 "[ . 1 .]" 1
281 2 20 LEU H 2 21 PHE H 2.500 . 3.000 2.630 2.543 2.680 . 0 0 "[ . 1 .]" 1
282 2 20 LEU HA 2 21 PHE H 3.000 2.500 3.500 3.541 3.525 3.554 0.054 9 0 "[ . 1 .]" 1
283 2 20 LEU HA 2 23 GLY H 3.200 2.700 3.700 3.520 3.277 3.768 0.068 14 0 "[ . 1 .]" 1
284 2 20 LEU HA 2 24 LEU H 4.300 3.800 4.800 4.367 3.960 4.819 0.019 6 0 "[ . 1 .]" 1
285 2 20 LEU HB2 2 21 PHE H 3.500 3.000 4.000 3.080 2.838 3.961 0.162 5 0 "[ . 1 .]" 1
286 2 20 LEU HB3 2 21 PHE H 3.500 3.000 4.000 3.299 2.824 3.696 0.176 8 0 "[ . 1 .]" 1
287 2 20 LEU MD1 3 21 PHE QE 3.000 . 4.000 2.997 1.978 3.960 0.022 3 0 "[ . 1 .]" 1
288 2 20 LEU MD2 3 21 PHE H 4.000 3.000 5.000 4.675 4.020 5.074 0.074 14 0 "[ . 1 .]" 1
289 2 20 LEU MD2 3 24 LEU QB 3.000 . 4.000 3.539 2.416 4.030 0.030 10 0 "[ . 1 .]" 1
290 2 21 PHE H 2 21 PHE HA 2.500 . 3.000 2.836 2.806 2.861 . 0 0 "[ . 1 .]" 1
291 2 21 PHE H 2 21 PHE QB 2.200 . 2.700 2.231 2.131 2.264 . 0 0 "[ . 1 .]" 1
292 2 21 PHE H 2 22 ILE H 2.500 . 3.000 2.666 2.614 2.702 . 0 0 "[ . 1 .]" 1
293 2 21 PHE HA 2 24 LEU H 3.000 2.500 3.500 3.505 3.374 3.629 0.129 15 0 "[ . 1 .]" 1
294 2 21 PHE QB 2 22 ILE MD 3.500 2.500 4.500 3.689 2.450 4.682 0.182 12 0 "[ . 1 .]" 1
295 2 21 PHE QD 2 24 LEU MD1 4.000 3.000 5.000 4.189 3.324 5.058 0.058 13 0 "[ . 1 .]" 1
296 2 21 PHE QE 2 25 ALA MB 4.000 3.000 5.000 4.430 3.531 5.032 0.032 7 0 "[ . 1 .]" 1
297 2 22 ILE H 2 22 ILE HA 2.500 . 3.000 2.829 2.805 2.846 . 0 0 "[ . 1 .]" 1
298 2 22 ILE H 2 22 ILE HB 2.200 . 2.700 2.452 2.198 2.594 . 0 0 "[ . 1 .]" 1
299 2 22 ILE H 2 23 GLY H 2.500 . 3.000 2.623 2.559 2.698 . 0 0 "[ . 1 .]" 1
300 2 22 ILE HA 2 23 GLY H 2.800 2.300 3.300 3.517 3.495 3.532 0.232 2 0 "[ . 1 .]" 1
301 2 22 ILE HA 2 25 ALA H 3.300 2.800 3.800 3.747 3.420 3.904 0.104 8 0 "[ . 1 .]" 1
302 2 22 ILE HA 2 25 ALA MB 4.000 3.500 4.500 3.394 3.156 3.449 0.344 15 0 "[ . 1 .]" 1
303 2 22 ILE MD 2 25 ALA MB 4.000 3.000 5.000 4.129 3.489 5.358 0.358 15 0 "[ . 1 .]" 1
304 2 23 GLY H 2 23 GLY QA 2.500 . 3.000 2.209 2.199 2.222 . 0 0 "[ . 1 .]" 1
305 2 23 GLY H 2 24 LEU H 2.500 . 3.000 2.645 2.540 2.739 . 0 0 "[ . 1 .]" 1
306 2 23 GLY QA 2 24 LEU H 3.000 2.500 3.500 2.800 2.763 2.817 . 0 0 "[ . 1 .]" 1
307 2 23 GLY QA 2 26 TYR H 3.300 2.800 3.800 3.324 3.197 3.478 . 0 0 "[ . 1 .]" 1
308 2 24 LEU H 2 24 LEU HA 2.500 . 3.000 2.804 2.791 2.820 . 0 0 "[ . 1 .]" 1
309 2 24 LEU H 2 24 LEU HB2 2.500 . 3.000 2.318 2.222 2.461 . 0 0 "[ . 1 .]" 1
310 2 24 LEU H 2 24 LEU HB3 2.500 . 3.000 2.742 2.565 2.871 . 0 0 "[ . 1 .]" 1
311 2 24 LEU H 2 25 ALA H 2.500 . 3.000 2.725 2.681 2.761 . 0 0 "[ . 1 .]" 1
312 2 24 LEU HA 2 25 ALA H 2.700 2.200 3.200 3.520 3.490 3.535 0.335 8 0 "[ . 1 .]" 1
313 2 24 LEU HA 2 27 ARG H 3.500 3.000 4.000 3.695 3.441 4.048 0.048 14 0 "[ . 1 .]" 1
314 2 24 LEU MD2 2 25 ALA MB 4.000 3.000 5.000 3.879 3.501 5.036 0.036 13 0 "[ . 1 .]" 1
315 2 24 LEU MD2 2 27 ARG H 4.000 3.000 5.000 4.838 4.284 5.014 0.014 9 0 "[ . 1 .]" 1
316 2 24 LEU MD2 2 28 TYR QD 4.000 3.000 5.000 4.229 3.581 5.075 0.075 13 0 "[ . 1 .]" 1
317 2 25 ALA H 2 25 ALA HA 2.500 . 3.000 2.835 2.799 2.858 . 0 0 "[ . 1 .]" 1
318 2 25 ALA H 2 26 TYR H 2.500 . 3.000 2.644 2.560 2.736 . 0 0 "[ . 1 .]" 1
319 2 25 ALA H 2 27 ARG H 4.000 3.500 4.500 4.308 4.130 4.509 0.009 14 0 "[ . 1 .]" 1
320 2 25 ALA HA 2 26 TYR H 3.000 2.500 3.500 3.540 3.526 3.555 0.055 3 0 "[ . 1 .]" 1
321 2 25 ALA HA 2 28 TYR H 3.300 2.800 3.800 3.451 3.269 3.690 . 0 0 "[ . 1 .]" 1
322 2 26 TYR H 2 26 TYR HA 2.500 . 3.000 2.815 2.789 2.831 . 0 0 "[ . 1 .]" 1
323 2 26 TYR H 2 26 TYR HB3 2.200 . 2.700 2.685 2.650 2.723 0.023 14 0 "[ . 1 .]" 1
324 2 26 TYR H 2 27 ARG H 2.500 2.500 3.000 2.736 2.671 2.885 . 0 0 "[ . 1 .]" 1
325 2 26 TYR HA 2 27 ARG H 3.000 2.500 3.500 3.559 3.545 3.592 0.092 14 0 "[ . 1 .]" 1
326 2 26 TYR HA 2 29 GLN H 3.500 3.000 4.000 3.528 3.336 3.682 . 0 0 "[ . 1 .]" 1
327 2 27 ARG H 2 27 ARG HA 2.500 . 3.000 2.832 2.796 2.858 . 0 0 "[ . 1 .]" 1
328 2 27 ARG H 2 27 ARG QB 2.500 . 3.000 2.353 2.139 2.686 . 0 0 "[ . 1 .]" 1
329 2 27 ARG H 2 27 ARG QD 3.000 . 4.000 3.816 2.336 4.274 0.274 13 0 "[ . 1 .]" 1
330 2 27 ARG H 2 29 GLN H 4.000 3.500 4.500 3.988 3.860 4.296 . 0 0 "[ . 1 .]" 1
331 2 27 ARG HA 2 28 TYR H 3.000 2.500 3.500 3.510 3.432 3.551 0.051 13 0 "[ . 1 .]" 1
332 2 27 ARG HA 2 29 GLN H 3.300 2.800 3.800 3.853 3.779 3.974 0.174 10 0 "[ . 1 .]" 1
333 2 27 ARG QB 2 28 TYR H 2.700 2.200 3.200 2.908 2.457 3.481 0.281 4 0 "[ . 1 .]" 1
334 2 28 TYR H 2 28 TYR HA 2.500 . 3.000 2.911 2.908 2.918 . 0 0 "[ . 1 .]" 1
335 2 28 TYR H 2 28 TYR HB2 2.200 . 2.700 2.544 2.449 2.607 . 0 0 "[ . 1 .]" 1
336 2 28 TYR H 2 28 TYR HB3 2.200 . 2.700 2.640 2.601 2.724 0.024 6 0 "[ . 1 .]" 1
337 2 28 TYR H 2 29 GLN H 2.500 . 3.000 2.514 2.330 2.633 . 0 0 "[ . 1 .]" 1
338 2 28 TYR HA 2 29 GLN H 3.000 2.500 3.500 3.353 3.268 3.466 . 0 0 "[ . 1 .]" 1
339 2 29 GLN H 2 29 GLN HA 2.500 . 3.000 2.710 2.287 2.965 . 0 0 "[ . 1 .]" 1
340 2 29 GLN H 2 30 ARG H 2.800 2.300 3.300 2.954 2.184 3.373 0.116 4 0 "[ . 1 .]" 1
341 2 29 GLN HA 2 30 ARG H 2.800 2.300 3.300 2.884 2.292 3.530 0.230 2 0 "[ . 1 .]" 1
342 2 30 ARG H 2 30 ARG HA 2.800 2.300 3.300 2.716 2.292 2.964 0.008 9 0 "[ . 1 .]" 1
343 3 3 THR HA 3 4 VAL H 2.000 . 2.500 2.710 2.403 2.936 0.436 7 0 "[ . 1 .]" 1
344 3 3 THR HA 3 6 LEU H 3.000 2.500 3.500 3.552 3.264 3.817 0.317 12 0 "[ . 1 .]" 1
345 3 4 VAL H 3 4 VAL HA 3.000 2.500 3.500 2.860 2.843 2.869 . 0 0 "[ . 1 .]" 1
346 3 4 VAL HA 3 5 LEU H 3.000 2.500 3.500 3.503 3.456 3.529 0.029 9 0 "[ . 1 .]" 1
347 3 5 LEU H 3 5 LEU HA 2.800 2.300 3.300 2.835 2.811 2.848 . 0 0 "[ . 1 .]" 1
348 3 5 LEU H 3 5 LEU HB2 2.500 . 3.000 2.382 2.050 3.521 0.521 1 1 "[+ . 1 .]" 1
349 3 5 LEU H 3 5 LEU HB3 2.500 . 3.000 2.803 2.534 3.465 0.465 10 0 "[ . 1 .]" 1
350 3 5 LEU H 3 6 LEU H 2.500 2.500 3.000 2.656 2.584 2.725 . 0 0 "[ . 1 .]" 1
351 3 5 LEU HA 3 9 VAL MG1 3.500 2.500 4.500 4.594 4.536 4.664 0.164 10 0 "[ . 1 .]" 1
352 3 5 LEU QD 3 8 LEU H 4.000 3.000 5.000 4.461 3.810 4.876 . 0 0 "[ . 1 .]" 1
353 3 6 LEU H 3 6 LEU HA 2.500 . 3.000 2.752 2.727 2.773 . 0 0 "[ . 1 .]" 1
354 3 6 LEU H 3 6 LEU HB2 2.500 . 3.000 2.205 2.065 2.433 . 0 0 "[ . 1 .]" 1
355 3 6 LEU H 3 6 LEU HB3 2.500 . 3.000 3.012 2.687 3.225 0.225 15 0 "[ . 1 .]" 1
356 3 6 LEU H 3 7 PRO QD 2.500 . 3.000 2.421 2.347 2.497 . 0 0 "[ . 1 .]" 1
357 3 6 LEU HA 3 9 VAL MG1 3.500 2.500 4.500 2.392 2.358 2.454 0.142 6 0 "[ . 1 .]" 1
358 3 7 PRO HA 3 10 ILE H 2.800 2.300 3.300 3.511 3.464 3.590 0.290 11 0 "[ . 1 .]" 1
359 3 8 LEU H 3 8 LEU HA 2.500 . 3.000 2.803 2.778 2.815 . 0 0 "[ . 1 .]" 1
360 3 8 LEU H 3 8 LEU HB2 2.500 . 3.000 2.172 2.069 2.263 . 0 0 "[ . 1 .]" 1
361 3 8 LEU H 3 8 LEU HB3 2.500 . 3.000 2.937 2.772 3.113 0.113 15 0 "[ . 1 .]" 1
362 3 8 LEU H 3 8 LEU MD2 3.500 2.500 4.500 3.797 3.151 4.342 . 0 0 "[ . 1 .]" 1
363 3 8 LEU H 3 8 LEU HG 4.000 3.500 4.500 4.403 4.138 4.557 0.057 3 0 "[ . 1 .]" 1
364 3 8 LEU H 3 9 VAL H 2.500 . 3.000 2.813 2.779 2.883 . 0 0 "[ . 1 .]" 1
365 3 8 LEU HA 3 11 PHE H 3.000 2.500 3.500 3.600 3.545 3.654 0.154 2 0 "[ . 1 .]" 1
366 3 8 LEU HB2 3 9 VAL H 3.000 2.500 3.500 3.511 3.334 3.641 0.141 14 0 "[ . 1 .]" 1
367 3 8 LEU HB3 3 9 VAL H 3.000 2.500 3.500 2.546 2.478 2.688 0.022 14 0 "[ . 1 .]" 1
368 3 8 LEU MD1 3 12 PHE QD 4.000 3.000 5.000 3.822 2.969 5.016 0.031 11 0 "[ . 1 .]" 1
369 3 8 LEU MD2 3 9 VAL H 4.000 3.000 5.000 4.276 3.420 4.708 . 0 0 "[ . 1 .]" 1
370 3 9 VAL H 3 9 VAL HA 2.500 . 3.000 2.831 2.805 2.845 . 0 0 "[ . 1 .]" 1
371 3 9 VAL H 3 9 VAL HB 2.000 . 2.500 2.600 2.566 2.624 0.124 1 0 "[ . 1 .]" 1
372 3 9 VAL H 3 10 ILE H 2.500 . 3.000 2.688 2.633 2.769 . 0 0 "[ . 1 .]" 1
373 3 9 VAL HA 3 12 PHE H 3.200 2.700 3.700 3.269 3.143 3.449 . 0 0 "[ . 1 .]" 1
374 3 9 VAL MG2 3 10 ILE H 4.000 3.000 5.000 3.675 3.643 3.730 . 0 0 "[ . 1 .]" 1
375 3 9 VAL MG2 3 13 GLY H 3.500 2.500 4.500 4.083 3.790 4.399 . 0 0 "[ . 1 .]" 1
376 3 10 ILE H 3 10 ILE HA 2.500 . 3.000 2.850 2.834 2.869 . 0 0 "[ . 1 .]" 1
377 3 10 ILE H 3 10 ILE HB 2.200 . 2.700 2.624 2.452 2.765 0.065 4 0 "[ . 1 .]" 1
378 3 10 ILE H 3 11 PHE H 2.500 2.500 3.000 2.637 2.559 2.690 . 0 0 "[ . 1 .]" 1
379 3 10 ILE HA 3 11 PHE H 3.500 3.000 4.000 3.559 3.549 3.573 . 0 0 "[ . 1 .]" 1
380 3 10 ILE HA 3 13 GLY H 3.000 2.500 3.500 3.573 3.449 3.676 0.176 9 0 "[ . 1 .]" 1
381 3 10 ILE HB 3 11 PHE H 3.000 2.500 3.500 2.573 2.490 2.703 0.010 9 0 "[ . 1 .]" 1
382 3 10 ILE MG 3 11 PHE H 3.500 3.000 4.000 3.580 3.488 3.688 . 0 0 "[ . 1 .]" 1
383 3 11 PHE H 3 11 PHE HA 2.500 . 3.000 2.836 2.810 2.854 . 0 0 "[ . 1 .]" 1
384 3 11 PHE H 3 11 PHE QB 2.500 . 3.000 2.247 2.224 2.267 . 0 0 "[ . 1 .]" 1
385 3 11 PHE H 3 12 PHE H 2.500 . 3.000 2.616 2.541 2.742 . 0 0 "[ . 1 .]" 1
386 3 11 PHE HA 3 12 PHE H 3.000 2.500 3.500 3.539 3.527 3.558 0.058 5 0 "[ . 1 .]" 1
387 3 11 PHE HA 3 14 LEU H 3.000 2.500 3.500 3.366 3.266 3.442 . 0 0 "[ . 1 .]" 1
388 3 11 PHE HA 3 14 LEU MD1 3.000 . 4.000 3.787 2.904 4.024 0.024 3 0 "[ . 1 .]" 1
389 3 12 PHE H 3 12 PHE HA 2.500 . 3.000 2.804 2.793 2.816 . 0 0 "[ . 1 .]" 1
390 3 12 PHE H 3 12 PHE QB 2.200 . 2.700 2.174 2.062 2.216 . 0 0 "[ . 1 .]" 1
391 3 12 PHE HA 3 13 GLY H 3.300 2.800 3.800 3.554 3.526 3.568 . 0 0 "[ . 1 .]" 1
392 3 12 PHE HA 3 15 ALA H 3.000 2.500 3.500 3.528 3.479 3.564 0.064 3 0 "[ . 1 .]" 1
393 3 12 PHE HA 3 15 ALA MB 3.000 2.500 3.500 3.080 2.965 3.200 . 0 0 "[ . 1 .]" 1
394 3 12 PHE HB2 3 13 GLY H 3.000 2.500 3.500 3.562 2.818 3.668 0.168 12 0 "[ . 1 .]" 1
395 3 12 PHE HB3 3 13 GLY H 3.000 2.500 3.500 2.582 2.443 3.189 0.057 12 0 "[ . 1 .]" 1
396 3 12 PHE QD 3 16 LEU MD1 3.000 . 4.000 3.557 2.417 4.034 0.034 3 0 "[ . 1 .]" 1
397 3 13 GLY H 3 13 GLY QA 2.500 . 3.000 2.211 2.201 2.217 . 0 0 "[ . 1 .]" 1
398 3 13 GLY H 3 14 LEU H 2.500 . 3.000 2.599 2.553 2.646 . 0 0 "[ . 1 .]" 1
399 3 13 GLY H 3 14 LEU QD 4.000 3.000 5.000 5.212 5.140 5.314 0.314 6 0 "[ . 1 .]" 1
400 3 13 GLY H 3 15 ALA H 4.000 3.500 4.500 4.259 4.176 4.300 . 0 0 "[ . 1 .]" 1
401 3 13 GLY QA 3 14 LEU H 3.000 2.500 3.500 2.766 2.753 2.774 . 0 0 "[ . 1 .]" 1
402 3 13 GLY QA 3 16 LEU H 3.000 2.500 3.500 3.352 3.245 3.464 . 0 0 "[ . 1 .]" 1
403 3 13 GLY QA 3 16 LEU MD1 2.700 . 3.700 2.941 2.057 3.808 0.108 7 0 "[ . 1 .]" 1
404 3 14 LEU H 3 14 LEU HA 2.500 . 3.000 2.803 2.798 2.817 . 0 0 "[ . 1 .]" 1
405 3 14 LEU H 3 14 LEU QB 2.000 . 2.500 2.108 2.018 2.155 . 0 0 "[ . 1 .]" 1
406 3 14 LEU H 3 14 LEU HG 4.500 4.000 5.000 4.401 3.987 4.454 0.013 6 0 "[ . 1 .]" 1
407 3 14 LEU H 3 16 LEU H 4.000 3.500 4.500 4.233 4.110 4.414 . 0 0 "[ . 1 .]" 1
408 3 14 LEU HA 3 17 LEU H 3.000 2.500 3.500 3.514 3.324 3.575 0.075 8 0 "[ . 1 .]" 1
409 3 14 LEU QD 3 15 ALA H 4.500 4.000 5.000 4.021 3.970 4.063 0.030 8 0 "[ . 1 .]" 1
410 3 14 LEU MD2 3 15 ALA HA 3.500 2.500 4.500 4.546 3.953 4.622 0.122 1 0 "[ . 1 .]" 1
411 3 14 LEU MD2 3 15 ALA MB 3.800 2.800 4.800 4.793 4.705 4.848 0.048 2 0 "[ . 1 .]" 1
412 3 15 ALA H 3 15 ALA HA 2.500 . 3.000 2.815 2.809 2.824 . 0 0 "[ . 1 .]" 1
413 3 15 ALA H 3 15 ALA MB 2.500 . 3.000 2.170 2.047 2.228 . 0 0 "[ . 1 .]" 1
414 3 15 ALA H 3 16 LEU H 2.500 . 3.000 2.694 2.644 2.728 . 0 0 "[ . 1 .]" 1
415 3 15 ALA HA 3 18 SER H 3.000 2.500 3.500 3.443 3.380 3.521 0.021 3 0 "[ . 1 .]" 1
416 3 16 LEU H 3 16 LEU HA 2.500 . 3.000 2.805 2.795 2.842 . 0 0 "[ . 1 .]" 1
417 3 16 LEU H 3 16 LEU HB2 2.500 . 3.000 2.157 2.042 2.363 . 0 0 "[ . 1 .]" 1
418 3 16 LEU H 3 16 LEU HB3 2.500 . 3.000 3.251 2.917 3.509 0.509 15 1 "[ . 1 +]" 1
419 3 16 LEU HA 3 19 LEU H 3.000 2.500 3.500 3.511 3.417 3.586 0.086 14 0 "[ . 1 .]" 1
420 3 17 LEU H 3 17 LEU HA 2.500 . 3.000 2.813 2.803 2.829 . 0 0 "[ . 1 .]" 1
421 3 17 LEU H 3 17 LEU HB2 2.500 . 3.000 2.437 2.222 2.542 . 0 0 "[ . 1 .]" 1
422 3 17 LEU H 3 17 LEU HB3 2.500 . 3.000 2.625 2.509 2.798 . 0 0 "[ . 1 .]" 1
423 3 17 LEU H 3 18 SER H 2.500 . 3.000 2.705 2.655 2.752 . 0 0 "[ . 1 .]" 1
424 3 17 LEU HA 3 18 SER H 3.000 2.500 3.500 3.541 3.516 3.557 0.057 3 0 "[ . 1 .]" 1
425 3 17 LEU HA 3 20 LEU H 3.000 2.500 3.500 3.378 3.171 3.489 . 0 0 "[ . 1 .]" 1
426 3 17 LEU HA 3 21 PHE H 3.500 3.000 4.000 4.062 4.027 4.100 0.100 8 0 "[ . 1 .]" 1
427 3 18 SER H 3 18 SER HA 2.500 . 3.000 2.805 2.795 2.813 . 0 0 "[ . 1 .]" 1
428 3 18 SER H 3 19 LEU H 2.500 . 3.000 2.753 2.707 2.807 . 0 0 "[ . 1 .]" 1
429 3 18 SER HA 3 21 PHE H 3.000 2.500 3.500 3.478 3.412 3.535 0.035 10 0 "[ . 1 .]" 1
430 3 19 LEU H 3 19 LEU HA 2.500 . 3.000 2.835 2.807 2.852 . 0 0 "[ . 1 .]" 1
431 3 19 LEU H 3 19 LEU QB 2.500 . 3.000 2.208 2.175 2.288 . 0 0 "[ . 1 .]" 1
432 3 19 LEU H 3 19 LEU HG 3.500 3.000 4.000 3.421 2.872 4.384 0.384 6 0 "[ . 1 .]" 1
433 3 19 LEU H 3 20 LEU H 2.500 . 3.000 2.669 2.600 2.773 . 0 0 "[ . 1 .]" 1
434 3 19 LEU HA 3 22 ILE MG 3.200 2.200 4.200 3.724 2.170 4.324 0.124 14 0 "[ . 1 .]" 1
435 3 20 LEU H 3 20 LEU HA 2.500 . 3.000 2.846 2.830 2.863 . 0 0 "[ . 1 .]" 1
436 3 20 LEU H 3 20 LEU QB 2.000 . 2.500 2.216 2.164 2.276 . 0 0 "[ . 1 .]" 1
437 3 20 LEU H 3 21 PHE H 2.500 . 3.000 2.612 2.549 2.661 . 0 0 "[ . 1 .]" 1
438 3 20 LEU HA 3 21 PHE H 3.000 2.500 3.500 3.539 3.524 3.549 0.049 9 0 "[ . 1 .]" 1
439 3 20 LEU HA 3 23 GLY H 3.200 2.700 3.700 3.552 3.305 3.761 0.061 1 0 "[ . 1 .]" 1
440 3 20 LEU HA 3 24 LEU H 4.300 3.800 4.800 4.389 3.895 4.842 0.042 3 0 "[ . 1 .]" 1
441 3 20 LEU HB2 3 21 PHE H 3.500 3.000 4.000 3.016 2.855 3.835 0.145 10 0 "[ . 1 .]" 1
442 3 20 LEU HB3 3 21 PHE H 3.500 3.000 4.000 3.393 2.824 3.580 0.176 3 0 "[ . 1 .]" 1
443 3 21 PHE H 3 21 PHE HA 2.500 . 3.000 2.839 2.805 2.873 . 0 0 "[ . 1 .]" 1
444 3 21 PHE H 3 21 PHE QB 2.200 . 2.700 2.243 2.204 2.265 . 0 0 "[ . 1 .]" 1
445 3 21 PHE H 3 22 ILE H 2.500 . 3.000 2.664 2.540 2.835 . 0 0 "[ . 1 .]" 1
446 3 21 PHE HA 3 24 LEU H 3.000 2.500 3.500 3.538 3.385 3.704 0.204 5 0 "[ . 1 .]" 1
447 3 21 PHE QB 3 22 ILE MD 3.500 2.500 4.500 4.182 3.535 4.919 0.419 5 0 "[ . 1 .]" 1
448 3 21 PHE QD 3 24 LEU MD1 4.000 3.000 5.000 4.115 3.712 4.949 . 0 0 "[ . 1 .]" 1
449 3 21 PHE QE 3 25 ALA MB 4.000 3.000 5.000 4.646 3.789 5.056 0.056 5 0 "[ . 1 .]" 1
450 3 22 ILE H 3 22 ILE HA 2.500 . 3.000 2.828 2.803 2.846 . 0 0 "[ . 1 .]" 1
451 3 22 ILE H 3 22 ILE HB 2.200 . 2.700 2.516 2.389 3.515 0.815 5 1 "[ + 1 .]" 1
452 3 22 ILE H 3 23 GLY H 2.500 . 3.000 2.604 2.541 2.663 . 0 0 "[ . 1 .]" 1
453 3 22 ILE HA 3 23 GLY H 2.800 2.300 3.300 3.512 3.493 3.525 0.225 14 0 "[ . 1 .]" 1
454 3 22 ILE HA 3 25 ALA H 3.300 2.800 3.800 3.690 3.437 3.896 0.096 14 0 "[ . 1 .]" 1
455 3 22 ILE HA 3 25 ALA MB 4.000 3.500 4.500 3.331 2.996 3.470 0.504 1 1 "[+ . 1 .]" 1
456 3 22 ILE MD 3 25 ALA MB 4.000 3.000 5.000 4.356 3.448 5.471 0.471 1 0 "[ . 1 .]" 1
457 3 23 GLY H 3 23 GLY QA 2.500 . 3.000 2.209 2.202 2.222 . 0 0 "[ . 1 .]" 1
458 3 23 GLY H 3 24 LEU H 2.500 . 3.000 2.642 2.517 2.730 . 0 0 "[ . 1 .]" 1
459 3 23 GLY QA 3 24 LEU H 3.000 2.500 3.500 2.799 2.759 2.816 . 0 0 "[ . 1 .]" 1
460 3 23 GLY QA 3 26 TYR H 3.300 2.800 3.800 3.330 3.217 3.569 . 0 0 "[ . 1 .]" 1
461 3 24 LEU H 3 24 LEU HA 2.500 . 3.000 2.804 2.787 2.838 . 0 0 "[ . 1 .]" 1
462 3 24 LEU H 3 24 LEU HB2 2.500 . 3.000 2.307 2.150 2.491 . 0 0 "[ . 1 .]" 1
463 3 24 LEU H 3 24 LEU HB3 2.500 . 3.000 2.762 2.520 2.985 . 0 0 "[ . 1 .]" 1
464 3 24 LEU H 3 25 ALA H 2.500 . 3.000 2.713 2.606 2.772 . 0 0 "[ . 1 .]" 1
465 3 24 LEU HA 3 25 ALA H 2.700 2.200 3.200 3.518 3.498 3.532 0.332 8 0 "[ . 1 .]" 1
466 3 24 LEU HA 3 27 ARG H 3.500 3.000 4.000 3.626 3.405 3.912 . 0 0 "[ . 1 .]" 1
467 3 24 LEU MD2 3 25 ALA MB 4.000 3.000 5.000 3.971 3.454 5.080 0.080 3 0 "[ . 1 .]" 1
468 3 24 LEU MD2 3 27 ARG H 4.000 3.000 5.000 4.687 4.117 5.005 0.005 8 0 "[ . 1 .]" 1
469 3 24 LEU MD2 3 28 TYR QD 4.000 3.000 5.000 3.867 3.426 4.167 . 0 0 "[ . 1 .]" 1
470 3 25 ALA H 3 25 ALA HA 2.500 . 3.000 2.824 2.796 2.858 . 0 0 "[ . 1 .]" 1
471 3 25 ALA H 3 26 TYR H 2.500 . 3.000 2.681 2.581 2.754 . 0 0 "[ . 1 .]" 1
472 3 25 ALA H 3 27 ARG H 4.000 3.500 4.500 4.312 4.191 4.428 . 0 0 "[ . 1 .]" 1
473 3 25 ALA HA 3 26 TYR H 3.000 2.500 3.500 3.542 3.533 3.554 0.054 5 0 "[ . 1 .]" 1
474 3 25 ALA HA 3 28 TYR H 3.300 2.800 3.800 3.459 3.278 3.731 . 0 0 "[ . 1 .]" 1
475 3 26 TYR H 3 26 TYR HA 2.500 . 3.000 2.818 2.804 2.836 . 0 0 "[ . 1 .]" 1
476 3 26 TYR H 3 26 TYR HB3 2.200 . 2.700 2.683 2.543 2.729 0.029 1 0 "[ . 1 .]" 1
477 3 26 TYR H 3 27 ARG H 2.500 2.500 3.000 2.721 2.631 2.796 . 0 0 "[ . 1 .]" 1
478 3 26 TYR HA 3 27 ARG H 3.000 2.500 3.500 3.557 3.544 3.568 0.068 4 0 "[ . 1 .]" 1
479 3 26 TYR HA 3 29 GLN H 3.500 3.000 4.000 3.667 3.345 4.007 0.007 6 0 "[ . 1 .]" 1
480 3 27 ARG H 3 27 ARG HA 2.500 . 3.000 2.841 2.802 2.873 . 0 0 "[ . 1 .]" 1
481 3 27 ARG H 3 27 ARG QB 2.500 . 3.000 2.301 2.073 2.619 . 0 0 "[ . 1 .]" 1
482 3 27 ARG H 3 27 ARG QD 3.000 . 4.000 3.865 3.362 4.281 0.281 8 0 "[ . 1 .]" 1
483 3 27 ARG H 3 29 GLN H 4.000 3.500 4.500 4.039 3.781 4.340 . 0 0 "[ . 1 .]" 1
484 3 27 ARG HA 3 28 TYR H 3.000 2.500 3.500 3.502 3.451 3.550 0.050 1 0 "[ . 1 .]" 1
485 3 27 ARG HA 3 29 GLN H 3.300 2.800 3.800 3.807 3.546 4.010 0.210 2 0 "[ . 1 .]" 1
486 3 27 ARG QB 3 28 TYR H 2.700 2.200 3.200 2.880 2.408 3.375 0.175 4 0 "[ . 1 .]" 1
487 3 28 TYR H 3 28 TYR HA 2.500 . 3.000 2.911 2.907 2.917 . 0 0 "[ . 1 .]" 1
488 3 28 TYR H 3 28 TYR HB2 2.200 . 2.700 2.531 2.409 2.626 . 0 0 "[ . 1 .]" 1
489 3 28 TYR H 3 28 TYR HB3 2.200 . 2.700 2.647 2.550 2.772 0.072 15 0 "[ . 1 .]" 1
490 3 28 TYR H 3 29 GLN H 2.500 . 3.000 2.531 2.396 2.640 . 0 0 "[ . 1 .]" 1
491 3 28 TYR HA 3 29 GLN H 3.000 2.500 3.500 3.341 3.263 3.434 . 0 0 "[ . 1 .]" 1
492 3 29 GLN H 3 29 GLN HA 2.500 . 3.000 2.772 2.290 2.961 . 0 0 "[ . 1 .]" 1
493 3 29 GLN H 3 30 ARG H 2.800 2.300 3.300 3.012 2.084 3.454 0.216 2 0 "[ . 1 .]" 1
494 3 29 GLN HA 3 30 ARG H 2.800 2.300 3.300 2.662 2.226 3.504 0.204 5 0 "[ . 1 .]" 1
495 3 30 ARG H 3 30 ARG HA 2.800 2.300 3.300 2.702 2.283 2.961 0.017 2 0 "[ . 1 .]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 30, 2024 4:20:06 AM GMT (wattos1)